SCHEMBL4622703

SCHEMBL4622703

CCC(C)c1ccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
OPRD1 P41143 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
NR3C1 P04150 1/20 0.32
OPRK1 P41145 1/20 0.32
RORC P51449 2/20 0.32
ERN1 O75460 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2245812 0.91 HDAC1 (0.37) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2245867 0.90 MMP2 (0.40) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2249780 0.89 MMP12 (0.36) MMP2ALDH1A1MAPTHPGDOPRD1
SCHEMBL2245162 0.87 ERN1 (0.36) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2244927 0.87 PPARG (0.37) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2247320 0.86 MMP2 (0.35) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2245193 0.86 MMP2 (0.43) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2247635 0.84 MCHR1 (0.36) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL4621840 0.83 KMT2A (0.37) ALDH1A1
SCHEMBL2244641 0.82 MMP2 (0.38) MMP2ALDH1A1HPGDTRPM8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed